N-[[1-(cyclopentylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine

C17H23N3 — CID 66412218

IUPACN-[[1-(cyclopentylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
SMILESc1cnc2c(c1)c(CNC1CC1)cn2CC1CCCC1
InChIInChI=1S/C17H23N3/c1-2-5-13(4-1)11-20-12-14(10-19-15-7-8-15)16-6-3-9-18-17(16)20/h3,6,9,12-13,15,19H,1-2,4-5,7-8,10-11H2
InChIKeyXJZKAJHSJCQWTE-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.48
Rot. Bonds5

About N-[[1-(cyclopentylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine

N-[[1-(cyclopentylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine (PubChem CID 66412218) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[1-(cyclopentylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(cyclopentylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
PubChem CID66412218
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[[1-(cyclopentylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
SMILESc1cnc2c(c1)c(CNC1CC1)cn2CC1CCCC1
InChIInChI=1S/C17H23N3/c1-2-5-13(4-1)11-20-12-14(10-19-15-7-8-15)16-6-3-9-18-17(16)20/h3,6,9,12-13,15,19H,1-2,4-5,7-8,10-11H2
InChIKeyXJZKAJHSJCQWTE-UHFFFAOYSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopentylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(cyclopentylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine (CID 66412218) is N-[[1-(cyclopentylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(cyclopentylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(cyclopentylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine is c1cnc2c(c1)c(CNC1CC1)cn2CC1CCCC1.
What is the InChIKey of N-[[1-(cyclopentylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
The InChIKey is XJZKAJHSJCQWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-5-13(4-1)11-20-12-14(10-19-15-7-8-15)16-6-3-9-18-17(16)20/h3,6,9,12-13,15,19H,1-2,4-5,7-8,10-11H2.
What are the key properties of N-[[1-(cyclopentylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
N-[[1-(cyclopentylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine has a molecular weight of 269.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopentylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66412218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).